SCHEMBL8950469

SCHEMBL8950469

O=S1(=O)c2sccc2C=C(CO)N1CCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
LMNA P02545 1/20 0.39
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
GLA P06280 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALDH1A1 P00352 7/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR1 P21554 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8950339 0.77 CA2 (0.41) KMT2ALMNACA2CA4NPSR1
SCHEMBL8950506 0.74 GAA (0.31) CA2CA4GAAALDH1A1MAPT
SCHEMBL8950219 0.73 SMN1; SMN2 (0.53) KMT2ALMNACA2CA4MAPT
SCHEMBL9057846 0.72 KMT2A (0.38) KMT2ALMNAGLAGAANPSR1
SCHEMBL8950133 0.71 CA2 (0.36) KMT2ACA2CA4NPSR1ALDH1A1
SCHEMBL8950135 0.69
SCHEMBL7508734 0.68 L3MBTL1 (0.38) KMT2ALMNAGLAGAANPSR1
SCHEMBL8950335 0.68
SCHEMBL9596744 0.65 KMT2A (0.37) KMT2ALMNAGLAGAANPSR1
SCHEMBL8950606 0.63 CA2 (0.36) KMT2ALMNACA2CA4GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5538966-A ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-23 US disclosed